4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid

C23H27NO4 — CID 22241020

IUPAC4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(CCC(=O)N2CCC(Cc3ccccc3)(C(=O)O)CC2)cc1
InChIInChI=1S/C23H27NO4/c1-28-20-10-7-18(8-11-20)9-12-21(25)24-15-13-23(14-16-24,22(26)27)17-19-5-3-2-4-6-19/h2-8,10-11H,9,12-17H2,1H3,(H,26,27)
InChIKeyACORKIPSDSMUNC-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.56
Rot. Bonds7

About 4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid

4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 22241020) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
PubChem CID22241020
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(CCC(=O)N2CCC(Cc3ccccc3)(C(=O)O)CC2)cc1
InChIInChI=1S/C23H27NO4/c1-28-20-10-7-18(8-11-20)9-12-21(25)24-15-13-23(14-16-24,22(26)27)17-19-5-3-2-4-6-19/h2-8,10-11H,9,12-17H2,1H3,(H,26,27)
InChIKeyACORKIPSDSMUNC-UHFFFAOYSA-N
XLogP3.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 22240726
4-benzyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-4-carboxylic acid
CID 22240979
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
4-benzyl-1-(3-phenylpropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 23600561
4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 22240811
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
CID 119134967
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820
3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one
CID 60591801
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
4-benzyl-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 23600629

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid (CID 22241020) is 4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid is COc1ccc(CCC(=O)N2CCC(Cc3ccccc3)(C(=O)O)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is ACORKIPSDSMUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-28-20-10-7-18(8-11-20)9-12-21(25)24-15-13-23(14-16-24,22(26)27)17-19-5-3-2-4-6-19/h2-8,10-11H,9,12-17H2,1H3,(H,26,27).
What are the key properties of 4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid?
4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 381.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 22241020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).